1-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine

C11H11ClN4 — CID 83868837

IUPAC1-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine
SMILESNc1nn(-c2cccc(Cl)c2)c2c1CNC2
InChIInChI=1S/C11H11ClN4/c12-7-2-1-3-8(4-7)16-10-6-14-5-9(10)11(13)15-16/h1-4,14H,5-6H2,(H2,13,15)
InChIKeyQQBSWKLQPCEILQ-UHFFFAOYSA-N
MW234.69 g/mol
LogP1.71
Rot. Bonds1

About 1-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine

1-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine (PubChem CID 83868837) has the molecular formula C11H11ClN4 and a molecular weight of 234.69 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine
PubChem CID83868837
Molecular FormulaC11H11ClN4
Molecular Weight234.69 g/mol
Exact Mass234.07
IUPAC Name1-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine
SMILESNc1nn(-c2cccc(Cl)c2)c2c1CNC2
InChIInChI=1S/C11H11ClN4/c12-7-2-1-3-8(4-7)16-10-6-14-5-9(10)11(13)15-16/h1-4,14H,5-6H2,(H2,13,15)
InChIKeyQQBSWKLQPCEILQ-UHFFFAOYSA-N
XLogP1.71
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine
CID 83868840
2-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-amine
CID 83868844
1-(3-chlorophenyl)-3-ethyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82586595
3-benzyl-1-(3-chlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82587639
1-(3-chlorophenyl)indazole-3,7-diamine
CID 69187735
3,5-diamino-1-(3-chlorophenyl)pyrazole-4-carboxylic acid
CID 115056445
3-(3-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl)aniline
CID 105485912
3-(3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-1-yl)benzonitrile
CID 105481976
2-[3,5-diamino-1-(3-chlorophenyl)pyrazol-4-yl]ethanol
CID 115056429
3-(3-chlorophenyl)-1-methyl-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazole
CID 83850624
1-(3-chlorophenyl)-3-methylpyrazole-4,5-diamine
CID 10513268
1-(3-chlorophenyl)-5-cyclopropylpyrazol-4-amine
CID 66423941

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine?
The IUPAC name of 1-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine (CID 83868837) is 1-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine?
The canonical SMILES for 1-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine is Nc1nn(-c2cccc(Cl)c2)c2c1CNC2.
What is the InChIKey of 1-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine?
The InChIKey is QQBSWKLQPCEILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4/c12-7-2-1-3-8(4-7)16-10-6-14-5-9(10)11(13)15-16/h1-4,14H,5-6H2,(H2,13,15).
What are the key properties of 1-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine?
1-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine has a molecular weight of 234.69 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5,6-dihydro-4H-pyrrolo[3,4-d]pyrazol-3-amine is sourced from PubChem (CID 83868837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).